2-chloro-4-cyclohexyl-5-fluoropyrimidine

C10H12ClFN2 — CID 123267373

IUPAC2-chloro-4-cyclohexyl-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1C1CCCCC1
InChIInChI=1S/C10H12ClFN2/c11-10-13-6-8(12)9(14-10)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyWZNDUHMXRRRRHP-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.32
Rot. Bonds1

About 2-chloro-4-cyclohexyl-5-fluoropyrimidine

2-chloro-4-cyclohexyl-5-fluoropyrimidine (PubChem CID 123267373) has the molecular formula C10H12ClFN2 and a molecular weight of 214.67 g/mol. Its IUPAC name is 2-chloro-4-cyclohexyl-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-cyclohexyl-5-fluoropyrimidine
PubChem CID123267373
Molecular FormulaC10H12ClFN2
Molecular Weight214.67 g/mol
Exact Mass214.07
IUPAC Name2-chloro-4-cyclohexyl-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1C1CCCCC1
InChIInChI=1S/C10H12ClFN2/c11-10-13-6-8(12)9(14-10)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyWZNDUHMXRRRRHP-UHFFFAOYSA-N
XLogP3.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6,7,8-Tetrahydroquinazolin-2-amine
CID 224783
Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro-
CID 78154
4-Tert-butyl-2-chloropyrimidine
CID 12450625
5,6,7,8-Tetrahydroquinazoline
CID 637537
5H,6H,7H,8H,9H-cyclohepta(d)pyrimidin-2-amine
CID 63547880
2-Methyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[d]pyrimidine
CID 12450612
4-Isobutylpyrimidine
CID 565104
5,6,7,8,9,10-Hexahydrocycloocta[d]pyrimidin-2-amine
CID 57327898
2-Chloro-5,6,7,8-tetrahydroquinazoline
CID 12933876
4-Ethyl-5-fluoropyrimidine
CID 19074919
2-Chloro-4-cyclopropylpyrimidine
CID 24901915
2-Chloro-4-isopropylpyrimidine
CID 24901916

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclohexyl-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-cyclohexyl-5-fluoropyrimidine (CID 123267373) is 2-chloro-4-cyclohexyl-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-cyclohexyl-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-cyclohexyl-5-fluoropyrimidine is Fc1cnc(Cl)nc1C1CCCCC1.
What is the InChIKey of 2-chloro-4-cyclohexyl-5-fluoropyrimidine?
The InChIKey is WZNDUHMXRRRRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2/c11-10-13-6-8(12)9(14-10)7-4-2-1-3-5-7/h6-7H,1-5H2.
What are the key properties of 2-chloro-4-cyclohexyl-5-fluoropyrimidine?
2-chloro-4-cyclohexyl-5-fluoropyrimidine has a molecular weight of 214.67 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclohexyl-5-fluoropyrimidine is sourced from PubChem (CID 123267373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).